Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-
TL;DR: Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- (CAS 83807-63-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S)-1-methylpyrrolidin-2-yl]benzoic acid
Also Known As: Dihydroshihunine, 2-[(2S)-1-methylpyrrolidin-2-yl]benzoic acid, Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-, 2-(1-methylpyrrolidin-2-yl)benzoic acid, 2-[(2S)-1-Methyl-2-pyrrolidinyl]benzoic acid
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 83807-63-0 |
|---|---|
| SMILES | CN1CCC[C@H]1C2=CC=CC=C2C(=O)O |
| InChIKey | PURIRTNUIAQQNH-NSHDSACASA-N |
Product Overview
Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- (CAS 83807-63-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 2-[(2S)-1-methylpyrrolidin-2-yl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-
Property Insights of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-
The XLogP value of -0.5 indicates that Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-?
The CAS number of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- is 83807-63-0.
What is the molecular formula of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-?
The molecular formula of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- is C12H15NO2.
What is the molecular weight of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-?
The molecular weight of Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- is 205.11 g/mol.
Where can I buy Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-?
You can request a quote for Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.